N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide

C19H15ClF3N3O3 — CID 122581670

IUPACN-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C(=O)CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClF3N3O3/c1-26(14-4-2-3-13(20)11-14)17(27)10-9-16-24-18(25-29-16)12-5-7-15(8-6-12)28-19(21,22)23/h2-8,11H,9-10H2,1H3
InChIKeyPQBLPTOOEQXEMJ-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.88
Rot. Bonds6

About N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide

N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 122581670) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID122581670
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC NameN-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C(=O)CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClF3N3O3/c1-26(14-4-2-3-13(20)11-14)17(27)10-9-16-24-18(25-29-16)12-5-7-15(8-6-12)28-19(21,22)23/h2-8,11H,9-10H2,1H3
InChIKeyPQBLPTOOEQXEMJ-UHFFFAOYSA-N
XLogP4.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 50832165
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
N-methyl-N-(3-methylsulfonylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 155945804
N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431073
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 29152262
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431071
3-(2,6-dichlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604609
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55500294
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 51536854

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 122581670) is N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is CN(C(=O)CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is PQBLPTOOEQXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-26(14-4-2-3-13(20)11-14)17(27)10-9-16-24-18(25-29-16)12-5-7-15(8-6-12)28-19(21,22)23/h2-8,11H,9-10H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 425.79 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 122581670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).